1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine

C23H26N2O — CID 3069151

IUPAC1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CCCOc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O/c1-2-10-21(11-3-1)25-17-15-24(16-18-25)14-7-19-26-23-13-6-9-20-8-4-5-12-22(20)23/h1-6,8-13H,7,14-19H2
InChIKeyWVPPXJDJXUTXFI-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine

1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine (PubChem CID 3069151) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine
PubChem CID3069151
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CCCOc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C23H26N2O/c1-2-10-21(11-3-1)25-17-15-24(16-18-25)14-7-19-26-23-13-6-9-20-8-4-5-12-22(20)23/h1-6,8-13H,7,14-19H2
InChIKeyWVPPXJDJXUTXFI-UHFFFAOYSA-N
XLogP4.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine?
The IUPAC name of 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine (CID 3069151) is 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine?
The canonical SMILES for 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine is c1ccc(N2CCN(CCCOc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine?
The InChIKey is WVPPXJDJXUTXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-10-21(11-3-1)25-17-15-24(16-18-25)14-7-19-26-23-13-6-9-20-8-4-5-12-22(20)23/h1-6,8-13H,7,14-19H2.
What are the key properties of 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine?
1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine has a molecular weight of 346.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yloxypropyl)-4-phenylpiperazine is sourced from PubChem (CID 3069151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).